3FMC

CRYSTAL STRUCTURE OF a putative succinylglutamate desuccinylase / aspartoacylase family protein (SAMA_0604) FROM SHEWANELLA AMAZONENSIS SB2B AT 1.80 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94645, 0.97967
Spacegroup name	P 21 21 21
Unit cell lengths	98.279, 140.101, 164.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.735 - 1.800
R-factor	0.157
Rwork	0.155
R-free	0.18700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.684
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.735	29.735	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.105	0.066	0.572
Total number of observations		14527	38289
Number of reflections	184530
<I/σ(I)>	5.074	7.2	1.3
Completeness [%]	88.4	85.5	69.7
Redundancy	4.8	6.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	NANODROP, 1.5M Li2SO4, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K